Geometry & MOs

Info

ID:	315348
PubChem CID:	126625677
Reduced:	OF2N7C23H25 (1)
Stoich.:	AB2C7D23E25 (1)
Weight, g/mol:	434.166666
ΔH_f, kcal/mol:	-15.2
Dipole, Da:	4.45
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[N'-cyclopentyl-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N/C(=N\C2CC(NN2N)C3=CC(=CC(=C3)F)F)/NC(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations